VMD-L Mailing List
From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Apr 23 2018 - 11:12:49 CDT
- Next message: McGuire, Kelly: "Re: PDB Question"
- Previous message: Vermaas, Joshua: "RE: Problem using topo writegmxtop"
- In reply to: Sonibare, Kolawole: "Calculating Diffusion Coefficient Using VMD"
- Next in thread: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
On Mon, Apr 23, 2018 at 11:58 AM, Sonibare, Kolawole <
kasonibare42_at_students.tntech.edu> wrote:
> Dear VMD users,
>
> I have a system of heterogenous molecules. I have calculated the Centre of
> mass coordinates for each molecules using LAMMPS and I have an output file.
>
What are the contents and the format of this file?
>
> I intend to calculate the diffusion coefficient between similar molecules
> in the mixture. How can I do this please?
>
> Thank you.
>
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
- Next message: McGuire, Kelly: "Re: PDB Question"
- Previous message: Vermaas, Joshua: "RE: Problem using topo writegmxtop"
- In reply to: Sonibare, Kolawole: "Calculating Diffusion Coefficient Using VMD"
- Next in thread: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Maybe reply: Sonibare, Kolawole: "Re: Calculating Diffusion Coefficient Using VMD"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]